N-ethyl-2,3-dimethylbut-2-enamide

C8H15NO — CID 19876041

IUPACN-ethyl-2,3-dimethylbut-2-enamide
SMILESCCNC(=O)C(C)=C(C)C
InChIInChI=1S/C8H15NO/c1-5-9-8(10)7(4)6(2)3/h5H2,1-4H3,(H,9,10)
InChIKeyZKTZRKIVGDKKIB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds2

About N-ethyl-2,3-dimethylbut-2-enamide

N-ethyl-2,3-dimethylbut-2-enamide (PubChem CID 19876041) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethyl-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-ethyl-2,3-dimethylbut-2-enamide
PubChem CID19876041
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethyl-2,3-dimethylbut-2-enamide
SMILESCCNC(=O)C(C)=C(C)C
InChIInChI=1S/C8H15NO/c1-5-9-8(10)7(4)6(2)3/h5H2,1-4H3,(H,9,10)
InChIKeyZKTZRKIVGDKKIB-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethyl-2,3-dimethylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethylbut-2-enamide?
The IUPAC name of N-ethyl-2,3-dimethylbut-2-enamide (CID 19876041) is N-ethyl-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-ethyl-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-ethyl-2,3-dimethylbut-2-enamide is CCNC(=O)C(C)=C(C)C.
What is the InChIKey of N-ethyl-2,3-dimethylbut-2-enamide?
The InChIKey is ZKTZRKIVGDKKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-9-8(10)7(4)6(2)3/h5H2,1-4H3,(H,9,10).
What are the key properties of N-ethyl-2,3-dimethylbut-2-enamide?
N-ethyl-2,3-dimethylbut-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 19876041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).